UCSF

ZINC04425395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.72 13.46 -13.62 1 4 0 45 413.546 4
Lo Low (pH 4.5-6) 5.72 13.77 -32.93 2 4 1 46 414.554 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )